3-(3'-adamantan-1-yl-4'-hydroxybiphenyl-4-yl)acrylic acid tert-butyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(3'-adamantan-1-yl-4'-hydroxybiphenyl-4-yl)acrylic acid tert-butyl ester
• 英文别名: 3-(3’-adamantan-1-yl-4’-hydroxy-biphenyl-4-yl)acrylic acid tert-butyl ester；tert-butyl 3-(3’-adamantan-1-yl-4’-hydroxybiphenyl-4-yl)acrylate；Tert-butyl 3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoate；tert-butyl 3-[4-[3-(1-adamantyl)-4-hydroxyphenyl]phenyl]prop-2-enoate
• 化学式: C₂₉H₃₄O₃
• 分子量: 430.587
• InChiKey: VFKXVYRVLZXRLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(3'-adamantan-1-yl-4'-hydroxybiphenyl-4-yl)acrylic acid tert-butyl ester 在 lithium hydroxide monohydrate 、 potassium carbonate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.5h， 生成 3-[3’-adamantan-1-yl-4’-(4-carboxybutoxy)biphenyl-4-yl]acrylic acid tert-butyl ester
  参考文献：
  名称：

  新型 POLA1-HDAC11 双重抑制剂的抗肿瘤活性

  摘要：

  设计并合成了同时靶向 DNA 聚合酶 α (POLA1) 和组蛋白脱乙酰酶 (HDAC) 的混合分子，以利用潜在的协同作用。在筛选的分子库中，MIR002 和 GEM144 在一组人类实体和血液癌细胞系中显示出纳摩尔浓度的抗增殖活性。体外功能测定证实这些分子抑制 POLA1 引物延伸活性以及 HDAC11。分子对接研究也支持这些发现。从机制上讲，MIR002 和 GEM144 诱导 p53 乙酰化、p21 激活、G1/S 细胞周期停滞和细胞凋亡。这些抑制剂的口服给药证实了它们在体内的抗肿瘤活性楷模。在 50 mg/Kg 裸鼠 MIR002 异种移植的人类非小癌细胞 (H460) 中，Bid (qd×5×3w) 抑制肿瘤生长 (TGI = 61%)。更有趣的是，在 POLA1 抑制剂抗性细胞 (H460-R9A) 中， MIR002 与顺铂的体内组合显示出附加的抗肿瘤作用，在治疗结束时两只动

  DOI：

  10.1016/j.ejmech.2021.113971

文献信息

• [EN] PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE<br/>[FR] DÉRIVÉS DE PHÉNOL DESTINÉS À ÊTRE UTILISÉS COMME ANTIMICROBIENS, ANTIBACTÉRIENS, ET BACTÉRICIDES
  申请人：SPECIAL PRODUCTS LINE S P A

  公开号：WO2020178053A1

  公开（公告）日：2020-09-10

  Phenol derivatives of general formula (I) and (II), wherein meanings of the substituents are indicated in the description, their pharmaceutically acceptable salts, together with the processes for their preparation, their use as antimicrobial, antibacterial, bactericide agents and the corresponding pharmaceutical compositions are disclosed.

  通式（I）和（II）的酚衍生物，其中取代基的含义在描述中指明，它们的药用盐，以及它们的制备方法，它们作为抗微生物、抗菌、杀菌剂的用途以及相应的药物组成物被披露。
• [EN] RETINOID DERIVATIVES WITH ANTITUMOR ACTIVITY<br/>[FR] DÉRIVÉS DE RÉTINOÏDES À ACTIVITÉ ANTITUMORALE
  申请人：BIOGEM S CA R L

  公开号：WO2018060354A1

  公开（公告）日：2018-04-05

  The present invention relates to compounds of formula (I) and to pharmaceutical compositions containing them, wherein meanings of the substituents are indicated in the description. Such compounds for use in the treatment of cancer and other diseases related to altered angiogenesis, such as arthritic pathology, diabetic retinopathy, psoriasis and chronic inflammatory disease, are also within the scope of the present invention.

  本发明涉及式(I)的化合物及含有它们的制药组合物，其中取代基的含义在说明中指出。这样的化合物可用于治疗癌症和其他与改变的血管生成相关的疾病，如关节炎病理学、糖尿病视网膜病变、牛皮癣和慢性炎症性疾病。
• RETINOID DERIVATIVES ENDOWED WITH CYTOTOXIC AND/OR ANTIANGIOGENIC PROPERTIES
  申请人：Cabri Walter

  公开号：US20110312965A1

  公开（公告）日：2011-12-22

  The present invention relates to new retinoid derivatives of formula I and to pharmaceutical compositions containing them for the treatment of patients affected by pathologies such as arthritic conditions, tumours, metastatic cancer, diabetic retinopathy, psoriasis, chronic inflammatory diseases or atherosclerosis.

  本发明涉及公式I的新视黄醇衍生物和含有这些衍生物的药物组合物，用于治疗患有关节炎、肿瘤、转移性癌症、糖尿病性视网膜病变、银屑病、慢性炎症性疾病或动脉粥样硬化等病理的患者。
• Retinoid derivatives with antitumor activity
  申请人：BIOGEM S.C. A R.L.

  公开号：US11364216B2

  公开（公告）日：2022-06-21

  The present invention relates to compounds of formula (I) and to pharmaceutical compositions containing them: wherein meanings of the substituents are indicated in the description. Such compounds for use in the treatment of cancer and other diseases related to altered angiogenesis, such as arthritic pathology, diabetic retinopathy, psoriasis and chronic inflammatory disease, are also within the scope of the present invention.

  本发明涉及式（I）化合物和含有它们的药物组合物： 其中取代基的含义在描述中标明。 用于治疗癌症和其他与血管生成改变有关的疾病（如关节炎病变、糖尿病视网膜病变、牛皮癣和慢性炎症性疾病）的此类化合物也属于本发明的范围。
• RETINOID DERIVATIVES WITH ANTITUMOR ACTIVITY
  申请人：BIOGEM S.C. A R.L.

  公开号：US20210052530A1

  公开（公告）日：2021-02-25

  The present invention relates to compounds of formula (I) and to pharmaceutical compositions containing them: wherein meanings of the substituents are indicated in the description. Such compounds for use in the treatment of cancer and other diseases related to altered angiogenesis, such as arthritic pathology, diabetic retinopathy, psoriasis and chronic inflammatory disease, are also within the scope of the present invention.